Geometry & MOs

Info

ID:	134150
PubChem CID:	51653115
Reduced:	SN2O6H8C13 (1)
Stoich.:	AB2C6D8E13 (1)
Weight, g/mol:	457.146013
ΔH_f, kcal/mol:	-19.84
Dipole, Da:	4.22
IP(EA), eV:	-9.44(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[4-[[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)[N-]C2=CC=CC(=C2)C(=O)[O-]

DOS

IR

Vibrations